Sulfuric Acid

Sulfuric Acid

SCHEMBL9511477

Nc1cc(N)c(N)c(N)n1.O=S(=O)(O)O

nearest known ligand 0.38

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
PKM P14618 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
NT5E P21589 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL454523 0.86 MAPT (0.40) MAPTCYP3A4TDP1BLM
Sulfuric Acid SCHEMBL7533501 0.81 NT5E (0.35) ALDH1A1MAPTHSD17B10MEN1GAA
Sulfuric Acid SCHEMBL9512560 0.79 GABRP (0.36) ALDH1A1MAPTHSD17B10MEN1GAA
Sulfuric Acid SCHEMBL2398134 0.79 NT5E (0.34) ALDH1A1MAPTHSD17B10MEN1GAA
Sulfuric Acid SCHEMBL8723533 0.70 MAPT (0.36) ALDH1A1MAPTHSD17B10MEN1GAA
Sulfuric Acid SCHEMBL121743 0.69 PDPK1 (0.34) MAPTKDM4ETSHRNT5EBLM
Sulfuric Acid SCHEMBL4612293 0.69 PDPK1 (0.34) MAPTKDM4ETSHRNT5EBLM
Sulfuric Acid SCHEMBL20815930 0.69 PDPK1 (0.34) MAPTKDM4ETSHRNT5EBLM
SCHEMBL4395175 0.67 MAPT (0.37) ALDH1A1MAPTGAACYP3A4TDP1
Sulfuric Acid SCHEMBL8723114 0.67 CA5A (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566698-A1 AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR THE ROCKEFELLER UNIVERSITY (US) 1993-10-27 EP disclosed
WO-1992011853-A1 AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR THE ROCKEFELLER UNIVERSITY (US) 1992-07-23 WO disclosed